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{
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{
"id": "jvasp-97363",
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{
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"updated_at": "2022-09-04T14:37:51.285934Z",
"structure_string": "Ti6 Br2\n1.0\n2.823494 -4.890436 -0.000000\n2.823494 4.890436 -0.000000\n-0.000000 -0.000000 4.932142\nTi Br\n6 2\ndirect\n0.681205 0.840602 0.750000 Ti\n0.159396 0.318793 0.750000 Ti\n0.159396 0.840603 0.750000 Ti\n0.318793 0.159396 0.250000 Ti\n0.840602 0.681205 0.250000 Ti\n0.840603 0.159396 0.250000 Ti\n0.333332 0.666666 0.250000 Br\n0.666666 0.333332 0.750000 Br\n",
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"spacegroup": 194
},
{
"id": "jvasp-100510",
"created_at": "2022-09-04T14:37:00.795677Z",
"updated_at": "2022-09-04T14:37:00.795700Z",
"structure_string": "Ti3 Cd1\n1.0\n4.130000 0.000000 0.000000\n0.000000 4.130000 0.000000\n-0.000000 -0.000000 4.130000\nTi Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n",
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"spacegroup": 221
},
{
"id": "jvasp-110148",
"created_at": "2022-09-04T14:38:27.166282Z",
"updated_at": "2022-09-04T14:38:27.166307Z",
"structure_string": "Ti3 Co1 S6\n1.0\n5.216596 -0.012258 3.907391\n1.948396 4.839089 3.907391\n-0.018196 -0.012258 6.517687\nTi Co S\n3 1 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.170450 0.170450 0.170450 Ti\n0.829551 0.829550 0.829550 Ti\n0.000000 0.000000 0.000000 Co\n0.593314 0.251230 0.918027 S\n0.918028 0.593314 0.251230 S\n0.251231 0.918027 0.593314 S\n0.748770 0.081973 0.406686 S\n0.081973 0.406686 0.748770 S\n0.406687 0.748769 0.081973 S\n",
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"volume": 165.18682961336916,
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"formula_full": "Ti3 Co1 S6",
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"spacegroup": 148
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{
"id": "jvasp-16502",
"created_at": "2022-09-04T14:37:38.910652Z",
"updated_at": "2022-09-04T14:37:38.910680Z",
"structure_string": "Ti3 Cu1\n1.0\n3.959722 0.000000 0.000000\n0.000000 3.959722 -0.000000\n0.000000 -0.000000 3.960829\nTi Cu\n3 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-97353",
"created_at": "2022-09-04T14:36:13.905624Z",
"updated_at": "2022-09-04T14:36:13.905655Z",
"structure_string": "Ti12 Cu12 O4\n1.0\n6.867774 0.000000 3.965111\n2.289258 6.474999 3.965111\n0.000000 0.000000 7.930222\nTi Cu O\n12 12 4\ndirect\n0.439948 0.439948 0.810052 Ti\n0.810052 0.810052 0.439947 Ti\n0.560052 0.189948 0.189948 Ti\n0.810052 0.439948 0.439948 Ti\n0.189948 0.560052 0.560052 Ti\n0.439948 0.810052 0.810052 Ti\n0.810052 0.439948 0.810052 Ti\n0.560052 0.189948 0.560052 Ti\n0.189948 0.560052 0.189948 Ti\n0.439948 0.810052 0.439947 Ti\n0.189948 0.189948 0.560052 Ti\n0.560052 0.560052 0.189948 Ti\n0.210004 0.869987 0.210004 Cu\n0.789995 0.789996 0.789995 Cu\n0.210004 0.210004 0.869987 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 -0.000000 0.500000 Cu\n0.130013 0.789996 0.789995 Cu\n0.210004 0.210004 0.210004 Cu\n0.000000 0.500000 -0.000000 Cu\n0.789995 0.130013 0.789996 Cu\n0.869987 0.210004 0.210004 Cu\n0.500000 -0.000000 0.000000 Cu\n0.789995 0.789996 0.130013 Cu\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 352.6476922532638,
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"formula_full": "Ti12 Cu12 O4",
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"formula_anonymous": "AB3C3",
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"spacegroup": 227
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{
"id": "jvasp-14995",
"created_at": "2022-09-04T14:36:47.759608Z",
"updated_at": "2022-09-04T14:36:47.759617Z",
"structure_string": "Ti3 Cu4\n1.0\n3.107988 -0.000000 -0.481962\n-0.074739 3.107089 -0.481962\n-0.014559 -0.014913 10.168207\nTi Cu\n3 4\ndirect\n0.707789 0.707789 0.415576 Ti\n0.292212 0.292212 0.584425 Ti\n0.000000 0.000000 0.000000 Ti\n0.570283 0.570284 0.140567 Cu\n0.429717 0.429718 0.859434 Cu\n0.864742 0.864743 0.729485 Cu\n0.135258 0.135258 0.270516 Cu\n",
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"formula_full": "Ti3 Cu4",
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"spacegroup": 139
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{
"id": "jvasp-110535",
"created_at": "2022-09-04T14:38:39.069548Z",
"updated_at": "2022-09-04T14:38:39.069563Z",
"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
"nsites": 10,
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{
"id": "jvasp-18711",
"created_at": "2022-09-04T14:36:22.536223Z",
"updated_at": "2022-09-04T14:36:22.536258Z",
"structure_string": "Ti6 Ga2\n1.0\n2.831162 -4.903716 0.000000\n2.831162 4.903716 -0.000000\n0.000000 0.000000 4.644693\nTi Ga\n6 2\ndirect\n0.660159 0.830079 0.749999 Ti\n0.830079 0.660159 0.250000 Ti\n0.339841 0.169920 0.250000 Ti\n0.169920 0.339841 0.749999 Ti\n0.169920 0.830079 0.749999 Ti\n0.830079 0.169920 0.250000 Ti\n0.666667 0.333333 0.749999 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
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"updated_at": "2022-09-04T14:38:29.526994Z",
"structure_string": "Ti3 Ga1\n1.0\n-1.951805 1.951805 4.244062\n1.951805 -1.951805 4.244062\n1.951805 1.951805 -4.244062\nTi Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Ti6 Ga2\n1.0\n5.438562 -0.000000 -0.000000\n-2.719280 4.709933 -0.000000\n-0.000000 0.000000 5.461991\nTi Ga\n6 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
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{
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"created_at": "2022-09-04T14:35:53.821671Z",
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"structure_string": "Ti3 Ga1\n1.0\n3.188414 3.188414 0.000000\n3.188414 0.000000 -3.188414\n0.000000 3.188414 -3.188414\nTi Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n",
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}